About 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide
4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide (PubChem CID 158499570) has the molecular formula C133H132Cl4F14N30O18
and a molecular weight of 2846.49 g/mol. Its IUPAC name is 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide.
Frequently Asked Questions
What is the IUPAC name of 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide?
The IUPAC name of 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide (CID 158499570) is 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide?
The canonical SMILES for 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide is CC(C)(CNC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1)CNc1c(NCC2CC2)c(=O)c1=O.CC(C)(CNC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1)CNc1c(NCc2ccc(F)cc2F)c(=O)c1=O.CC(C)(CNC(=O)c1ccc(Nc2nc(NC3(c4ccc(Cl)cc4)CC3)nc(OCC(F)(F)F)n2)cc1)CNc1c(O)c(=O)c1=O.CCOc1c(NCC(C)(C)CNC(=O)c2ccc(Nc3nc(NC4(c5ccc(Cl)cc5)CC4)nc(OCC(F)(F)F)n3)cc2)c(=O)c1=O.
What is the InChIKey of 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide?
The InChIKey is HJSKTWZNUHTJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34ClF5N8O4.C34H36ClF3N8O4.C32H33ClF3N7O5.C30H29ClF3N7O5/c1-35(2,17-45-28-27(29(52)30(28)53)44-16-21-3-10-24(39)15-26(21)40)18-46-31(54)20-4-11-25(12-5-20)47-32-48-33(50-34(49-32)55-19-37(41,42)43)51-36(13-14-36)22-6-8-23(38)9-7-22;1-32(2,16-40-25-24(26(47)27(25)48)39-15-19-3-4-19)17-41-28(49)20-5-11-23(12-6-20)42-29-43-30(45-31(44-29)50-18-34(36,37)38)46-33(13-14-33)21-7-9-22(35)10-8-21;1-4-47-25-22(23(44)24(25)45)37-15-30(2,3)16-38-26(46)18-5-11-21(12-6-18)39-27-40-28(42-29(41-27)48-17-32(34,35)36)43-31(13-14-31)19-7-9-20(33)10-8-19;1-28(2,13-35-20-21(42)23(44)22(20)43)14-36-24(45)16-3-9-19(10-4-16)37-25-38-26(40-27(39-25)46-15-30(32,33)34)41-29(11-12-29)17-5-7-18(31)8-6-17/h3-12,15,44-45H,13-14,16-19H2,1-2H3,(H,46,54)(H2,47,48,49,50,51);5-12,19,39-40H,3-4,13-18H2,1-2H3,(H,41,49)(H2,42,43,44,45,46);5-12,37H,4,13-17H2,1-3H3,(H,38,46)(H2,39,40,41,42,43);3-10,35,42H,11-15H2,1-2H3,(H,36,45)(H2,37,38,39,40,41).
What are the key properties of 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide?
4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide has a molecular weight of 2846.49 g/mol, XLogP of 21.92, 60 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-(cyclopropylmethylamino)-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[[2-[(2,4-difluorophenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide;4-[[4-[[1-(4-chlorophenyl)cyclopropyl]amino]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]-N-[3-[(2-hydroxy-3,4-dioxocyclobuten-1-yl)amino]-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 158499570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).